CID 132350935

2137618-41-6

Structural Information

Molecular Formula
C23H25NO4
SMILES
C1CC(CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C23H25NO4/c25-22(26)14-16-6-5-12-24(13-11-16)23(27)28-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,16,21H,5-6,11-15H2,(H,25,26)
InChIKey
WXHKKBWBBDRORH-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azepan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.185616 190.7
[M+Na]+ 402.167558 193.9
[M-H]- 378.171064 196.8
[M+NH4]+ 397.212163 203.0
[M+K]+ 418.141498 192.9
[M+H-H2O]+ 362.175600 183.7
[M+HCOO]- 424.176541 204.1
[M+CH3COO]- 438.192191 198.6
[M+Na-2H]- 400.153006 189.5
[M]+ 379.17779142 186.7
[M]- 379.17888858 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.